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. 2022 Oct 27;12(22):13838–13852. doi: 10.1021/acscatal.2c03871

Table 2. Mössbauer Parameters upon Deconvolution of Room-Temperature Spectra of Calcined HTS Catalystsa,b.

sample IS (mm s–1) QS (mm s–1) H (T) Γ (mm s–1) phase spectral contribution (%)
HMc 0.38 –0.23 50.5 0.23 α-Fe2O3 100
Cr-HMc 0.38 –0.21 48.5 0.25 α-Fe2O3 100
CrCu-HMc 0.34 0.71   0.59 Fe3+ SPM 100
Al-HM 0.34 0.70   0.53 Fe3+ SPM 100
AlCu-HM 0.34 0.70   0.51 Fe3+ SPM 100
Ga-HM 0.37 –0.21 49.9 0.26 α-Fe2O3 98
  0.34 0.87   0.50* Fe3+ SPM 2
GaCu-HM 0.34 0.71   0.56 Fe3+ SPM 100
In-HM 0.34 0.70   0.55 Fe3+ SPM 100
InCu-HM 0.34 0.71   0.50* Fe3+ SPM 100
Mn-HM 0.37 –0.20 48.8 0.26 α-Fe2O3 50
  0.34 0.73   0.50* Fe3+ SPM 50
MnCu-HM 0.37* –0.21* 48.6 0.50* α-Fe2O3 16
  0.34 0.71   0.50* Fe3+ SPM 84
Zn-HM 0.38 –0.20 50.3 0.29 α-Fe2O3 42
  0.35 0.66   0.52 Fe3+ SPM 58
ZnCu-HM 0.37* –0.21* 49.7 0.50 α-Fe2O3 8
  0.34 0.69   0.50* Fe3+ SPM 92
Nb-HM 0.37 –0.21* 50.1 0.50* α-Fe2O3 17
  0.34 0.73   0.50* Fe3+ SPM 83
NbCu-HM 0.34 0.74   0.50* Fe3+ SPM 100
a

Fixed values are marked with * and average values with †.

b

Experimental uncertainties: IS ± 0.01 mm s–1, QS ± 0.01 mm s–1, line width: Γ ± 0.01 mm s–1, hyperfine magnetic field: H ± 0.1 T, spectral contribution: ±3%.

c

From ref (6).